4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-5-phenylmethoxy-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-5-phenylmethoxy-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-benzyloxy-4-(methoxymethyl)-9-(p-tolylsulfonyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-5-phenylmethoxy-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-5-phenylmethoxypyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-benzoxy-4-(methoxymethyl)-9-tosyl-$b-carboline-3-carboxylic acid Formula: C28H24N2O6S MolecularWeight: 516.56496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C(=CC=C3)OCC4=CC=CC=C4)C5=C(C(=NC=C52)C(=O)O)COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C(=CC=C3)OCC4=CC=CC=C4)C5=C(C(=NC=C52)C(=O)O)COC

InChI

InChI=1S/C28H24N2O6S/c1-18-11-13-20(14-12-18)37(33,34)30-22-9-6-10-24(36-16-19-7-4-3-5-8-19)26(22)25-21(17-35-2)27(28(31)32)29-15-23(25)30/h3-15H,16-17H2,1-2H3,(H,31,32)